2UYI

Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33

2UYI の概要

• エントリーDOI: 10.2210/pdb2uyi/pdb
• 関連するPDBエントリー: 1II6 1Q0B 1X88 1YRS 2FKY 2FL2 2FL6 2G1Q 2GM1
• 分子名称: KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: ksp, eg5, complex, mitosis, thiophene, inhibitor, nucleotide-binding, kinesin spindle protein, motor protein, cell division, phosphorylation, cell cycle, microtubule, coiled coil, atp-binding
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm: P52732
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 83767.25

構造登録者

Lee, T.T. (登録日: 2007-04-07, 公開日: 2007-05-22, 最終更新日: 2024-05-08)

主引用文献

Pinkerton, A.B.,Lee, T.T.,Hoffman, T.Z.,Wang, Y.,Kahraman, M.,Cook, T.G.,Severance, D.,Gahman, T.C.,Noble, S.A.,Shiau, A.K.,Davis, R.L.
Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors.
Bioorg.Med.Chem.Lett., 17:3562-, 2007

PubMed Abstract: We have identified and synthesized a series of thiophene containing inhibitors of kinesin spindle protein. SAR studies led to the synthesis of 33, which was co-crystallized with KSP and determined to bind to an allosteric pocket previously described for other known KSP inhibitors.

PubMed: 17498954
DOI: 10.1016/J.BMCL.2007.04.076

実験手法

X-RAY DIFFRACTION (2.1 Å)